Theoretical Investigations of Structural Properties and Isomerization Mechanism of Weakly Bound Silicon Monocation Binary Carbonyl and Isocarbonyl Complexes-Reference-Cited by-同舟云学术

Theoretical Investigations of Structural Properties and Isomerization Mechanism of Weakly Bound Silicon Monocation Binary Carbonyl and Isocarbonyl Complexes

Published:2003-06-28 Issue:31 Volume:107 Page:7618-7631
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Bu Yuxiang¹,Song Xinyu¹,Hu Xiangqian¹,Chen Zhida¹

Affiliation:

1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P.R. China, Department of Chemistry, Qufu Normal University, Qufu 273165, P.R. China, and State Key Laboratory of Rare-Earth Materials Chemistry and Application, Peking University, Beijing 100871, P.R. China

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp027651x

Reference40 articles.

1. Ab initio calculation of the potential energy surface of the system N2Li+

2. Ab Initio MO calculations on the stable structures and binding energies of X+-CO and X+-N2 ions (X = H, Li, Na and K)

3. Basis set and correlation effects on computed lithium ion affinities of some oxygen and nitrogen bases

4. Alkali ion carbonyls: sequential bond energies of Li+(CO)x (x = 1−3), Na+(CO)x (x = 1, 2) and K+(CO)

5. Electronic and vibrational study of the Li2CO complex using density functional theory

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